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Compilation was broken due to recent changes in CP/PW. [silviu] 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3308 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
silviu 2006-08-06 08:47:29 +00:00
parent b89b7b3261
commit 0c5d277891
3 changed files with 8 additions and 8 deletions
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1
VIB/makefile.pwvib
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@ -89,6 +89,7 @@ PW_OBJS = \
../PW/ewald_dipole.o \
../PW/exx.o \
../PW/fftw.o \
../PW/find_group.o \
../PW/force_cc.o \
../PW/force_corr.o \
../PW/force_ew.o \

6
VIB/viblib.f90
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@ -166,7 +166,7 @@ SUBROUTINE calculate_dipole (dipole, dipole_moment,tau)
rhog = 0.0
rhos = 0.0
!
CALL rhoofr(nfi,c0(:,:,1),irb,eigrb,bec,becsum,rhor,rhog,rhos,enl,ekin)
CALL rhoofr(nfi,c0(:,:),irb,eigrb,bec,becsum,rhor,rhog,rhos,enl,ekin)
#endif
#ifdef DFT_PW
@ -456,7 +456,7 @@ subroutine set_guess_wfc ( disp_sign )
! ... use reference wavefunction as initial guess
!
#ifdef DFT_CP
c0(:,:,1) = ref_c0(:,:,1)
c0(:,:) = ref_c0(:,:)
#endif
!
#ifdef DFT_PW
@ -497,7 +497,7 @@ subroutine set_guess_wfc ( disp_sign )
! ... at dispalcement at the negative direction
!
#ifdef DFT_CP
c0(:,:,1) = 2*ref_c0(:,:,1)-c0(:,:,1)
c0(:,:) = 2*ref_c0(:,:)-c0(:,:)
#endif
#ifdef DFT_PW
history = 2

9
VIB/vibrations.f90
View File

@ -33,7 +33,7 @@ MODULE vibrations
! frozen atoms are not displaced
!
#ifdef DFT_CP
COMPLEX (KIND=DP), ALLOCATABLE :: ref_c0(:,:,:)
COMPLEX (KIND=DP), ALLOCATABLE :: ref_c0(:,:)
REAL (KIND=DP), ALLOCATABLE :: ref_lambda(:,:,:)
#endif
@ -130,7 +130,6 @@ CONTAINS
USE cp_main_variables, ONLY : irb, eigrb, rhor, rhog, rhos, acc
USE cp_main_variables, ONLY : lambdap, eigr, rhopr
USE electrons_base, ONLY : nbsp, nbspx, nel, f, nudx, nspin
USE electrons_module, ONLY : cp_eigs
USE ions_positions, ONLY : tau0, taus, tausm, vels, velsm
USE electrons_nose, ONLY : xnhe0, xnhem, vnhe
USE energies, ONLY : etot, ekin, ekincm
@ -167,7 +166,7 @@ CONTAINS
! (1) Allocate arrays
!
#ifdef DFT_CP
ALLOCATE( ref_c0 ( ngw, nbspx, 1 ) )
ALLOCATE( ref_c0 ( ngw, nbspx ) )
ALLOCATE( ref_lambda ( nudx, nudx, nspin ) )
#endif
ALLOCATE( ref_tau ( 3, natx ) )
@ -278,7 +277,7 @@ CONTAINS
#ifdef DFT_CP
IF ( tcg ) THEN
!
CALL writefile( ndw, h, hold ,nfi, c0(:,:,1), c0old, taus, tausm, &
CALL writefile( ndw, h, hold ,nfi, c0(:,:), c0old, taus, tausm, &
vels, velsm, acc, lambda, lambdam, xnhe0, xnhem, &
vnhe, xnhp0, xnhpm, vnhp, nhpcl,nhpdim,ekincm, xnhh0,&
xnhhm, vnhh, velh, ecutp, ecutw, delt, pmass, ibrav,&
@ -286,7 +285,7 @@ CONTAINS
!
ELSE
!
CALL writefile( ndw, h, hold, nfi, c0(:,:,1), cm(:,:,1), taus, &
CALL writefile( ndw, h, hold, nfi, c0(:,:), cm(:,:), taus, &
tausm, vels, velsm, acc, lambda, lambdam, xnhe0, &
xnhem, vnhe, xnhp0, xnhpm, vnhp,nhpcl,nhpdim,ekincm,&
xnhh0, xnhhm, vnhh, velh, ecutp, ecutw, delt, pmass,&